2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine

C11H13F2NO2S — CID 64646463

IUPAC2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine
SMILESNC1CCCC1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2S/c12-8-5-4-7(6-9(8)13)17(15,16)11-3-1-2-10(11)14/h4-6,10-11H,1-3,14H2
InChIKeyKDJIKWIJNQZRMR-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.62
Rot. Bonds2

About 2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine

2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine (PubChem CID 64646463) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine
PubChem CID64646463
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine
SMILESNC1CCCC1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2S/c12-8-5-4-7(6-9(8)13)17(15,16)11-3-1-2-10(11)14/h4-6,10-11H,1-3,14H2
InChIKeyKDJIKWIJNQZRMR-UHFFFAOYSA-N
XLogP1.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine (CID 64646463) is 2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine is NC1CCCC1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine?
The InChIKey is KDJIKWIJNQZRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c12-8-5-4-7(6-9(8)13)17(15,16)11-3-1-2-10(11)14/h4-6,10-11H,1-3,14H2.
What are the key properties of 2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine?
2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfonylcyclopentan-1-amine is sourced from PubChem (CID 64646463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).